(Q105158102)

English

(1R,5E,7S,9R,11E,13R,14R,16S,17R,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione

chemical compound

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instance of

type of chemical entity

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subclass of

7-Hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione

1 reference

based on heuristic

inferred from SMILES

mass

525.23626708 dalton

1 reference

1 reference

(1R,5E,7S,9R,11E,13S,14S,16R,17S,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione

1 reference

based on heuristic

inferred from InChI

(1S,5Z,7R,9S,11E,13S,14S,16R,17S,18R,19S)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₅NO₈

0 references

canonical SMILES

COc1ccc(CC2NC(=O)C34OC(=O)OC=CC(C)(O)C(=O)C(C)CC=CC3C3OC3(C)C(C)C24)cc1

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isomeric SMILES

COc1ccc(C[C@H]2NC(=O)[C@]34OC(=O)O/C=C/[C@](C)(O)C(=O)[C@H](C)C/C=C/[C@@H]3[C@H]3O[C@@]3(C)[C@H](C)[C@H]24)cc1

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found in taxon

Daldinia concentrica

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stated in

Chemical constituents of the ascomycete Daldinia concentrica

Identifiers

InChI

InChI=1S/C29H35NO8/c1-16-7-6-8-20-24-28(4,37-24)17(2)22-21(15-18-9-11-19(35-5)12-10-18)30-25(32)29(20,22)38-26(33)36-14-13-27(3,34)23(16)31/h6,8-14,16-17,20-22,24,34H,7,15H2,1-5H3,(H,30,32)/b8-6+,14-13+/t16-,17-,20-,21-,22-,24-,27+,28+,29+/m1/s1

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InChIKey

LVWIBRGJAUUGDB-KQCYVGTOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVWIBRGJAUUGDB-KQCYVGTOSA-N

(Q105158102)

(1R,5E,7S,9R,11E,13R,14R,16S,17R,18R,19R)-7-hydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-5,11-diene-3,8,21-trione

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